2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide

C18H14FN3O3S — CID 7221093

IUPAC2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
SMILESNC1=NC(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)S1
InChIInChI=1S/C18H14FN3O3S/c19-12-5-7-13(8-6-12)21-16(23)10-25-14-4-2-1-3-11(14)9-15-17(24)22-18(20)26-15/h1-9H,10H2,(H,21,23)(H2,20,22,24)/b15-9-
InChIKeyLRGGLIAQKOGIMV-DHDCSXOGSA-N
MW371.39 g/mol
LogP2.77
Rot. Bonds5

About 2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide

2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 7221093) has the molecular formula C18H14FN3O3S and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID7221093
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC Name2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
SMILESNC1=NC(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)S1
InChIInChI=1S/C18H14FN3O3S/c19-12-5-7-13(8-6-12)21-16(23)10-25-14-4-2-1-3-11(14)9-15-17(24)22-18(20)26-15/h1-9H,10H2,(H,21,23)(H2,20,22,24)/b15-9-
InChIKeyLRGGLIAQKOGIMV-DHDCSXOGSA-N
XLogP2.77
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide (CID 7221093) is 2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide is NC1=NC(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)S1.
What is the InChIKey of 2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is LRGGLIAQKOGIMV-DHDCSXOGSA-N. The full InChI is InChI=1S/C18H14FN3O3S/c19-12-5-7-13(8-6-12)21-16(23)10-25-14-4-2-1-3-11(14)9-15-17(24)22-18(20)26-15/h1-9H,10H2,(H,21,23)(H2,20,22,24)/b15-9-.
What are the key properties of 2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide?
2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 371.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7221093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).